From 18083edcb8d1e8032b5d2b1a98f64ab06cc47629 Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Tue, 1 Aug 2023 07:47:12 -0500 Subject: [PATCH] MAINT: Use `openff-models=0.1.0beta0` --- devtools/conda-envs/beta_env.yaml | 3 ++- devtools/conda-envs/dev_env.yaml | 2 +- devtools/conda-envs/minimal_env.yaml | 2 +- devtools/conda-envs/test_env.yaml | 1 + 4 files changed, 5 insertions(+), 3 deletions(-) diff --git a/devtools/conda-envs/beta_env.yaml b/devtools/conda-envs/beta_env.yaml index 08d0997ef..e77f7a5a7 100644 --- a/devtools/conda-envs/beta_env.yaml +++ b/devtools/conda-envs/beta_env.yaml @@ -2,6 +2,7 @@ name: beta-env channels: - jaimergp/label/unsupported-cudatoolkit-shim - conda-forge/label/openmm_rc + - conda-forge/label/openff-models_rc - conda-forge - openeye dependencies: @@ -13,7 +14,7 @@ dependencies: - openmm >=7.6 # OpenFF stack - openff-toolkit >=0.14 - - openff-models >=0.0.4 + - openff-models - openff-nagl - openff-nagl-models # Optional features diff --git a/devtools/conda-envs/dev_env.yaml b/devtools/conda-envs/dev_env.yaml index 2a94e4cf2..cbbbef47d 100644 --- a/devtools/conda-envs/dev_env.yaml +++ b/devtools/conda-envs/dev_env.yaml @@ -12,7 +12,7 @@ dependencies: - openmm # OpenFF stack - openff-toolkit >=0.14 - - openff-models >=0.0.4 + - openff-models - openff-nagl - openff-nagl-models # Optional features diff --git a/devtools/conda-envs/minimal_env.yaml b/devtools/conda-envs/minimal_env.yaml index ac8fc23d5..f66d486ad 100644 --- a/devtools/conda-envs/minimal_env.yaml +++ b/devtools/conda-envs/minimal_env.yaml @@ -9,7 +9,7 @@ dependencies: - pydantic # OpenFF stack - openff-toolkit >=0.14 - - openff-models >=0.0.4 + - openff-models # Testing - pytest - pytest-xdist diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index c9b0d4394..f4a25c64a 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -2,6 +2,7 @@ name: openff-interchange-env channels: - jaimergp/label/unsupported-cudatoolkit-shim - conda-forge + - conda-forge/label/openff-models_rc dependencies: # Core - python